Geometry & MOs

Info

ID:	197666
PubChem CID:	78985750
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	284.95715
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	3.56
IP(EA), eV:	-9.45(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CC1)C(=O)[C@@H](CC2=CC=CC=C2)N

DOS

IR

Vibrations